2-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-propan-2-yl-phenyl]pentan-3-yl]-1-benzofuran-5-carboxylic acid

Systemtic Name: 2-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-propan-2-yl-phenyl]pentan-3-yl]-1-benzofuran-5-carboxylic acid Openeye Name: 2-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-isopropyl-phenyl]-1-ethyl-propyl]benzofuran-5-carboxylic acid CAS Name: 2-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-propan-2-ylphenyl]pentan-3-yl]-5-benzofurancarboxylic acid IUPAC Name: 2-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-propan-2-ylphenyl]pentan-3-yl]-1-benzofuran-5-carboxylic acid Traditional Name: 2-[1-ethyl-1-[3-isopropyl-4-(2-keto-3,3-dimethyl-butoxy)phenyl]propyl]benzofuran-5-carboxylic acid Formula: C29H36O5 MolecularWeight: 464.59314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C(C)C)C2=CC3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C(C)C)C2=CC3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C29H36O5/c1-8-29(9-2,26-15-20-14-19(27(31)32)10-12-23(20)34-26)21-11-13-24(22(16-21)18(3)4)33-17-25(30)28(5,6)7/h10-16,18H,8-9,17H2,1-7H3,(H,31,32)